copper(1+);2-ethynylthiophene

C6H3CuS — CID 86222395

IUPACcopper(1+);2-ethynylthiophene
SMILES[C-]#Cc1cccs1.[Cu+]
InChIInChI=1S/C6H3S.Cu/c1-2-6-4-3-5-7-6;/h3-5H;/q-1;+1
InChIKeyJZFREUKPCMUCIJ-UHFFFAOYSA-N
MW170.70 g/mol
LogP1.68
Rot. Bonds

About copper(1+);2-ethynylthiophene

copper(1+);2-ethynylthiophene (PubChem CID 86222395) has the molecular formula C6H3CuS and a molecular weight of 170.70 g/mol. Its IUPAC name is copper(1+);2-ethynylthiophene.

Molecular Properties

Compound Namecopper(1+);2-ethynylthiophene
PubChem CID86222395
Molecular FormulaC6H3CuS
Molecular Weight170.70 g/mol
Exact Mass169.93
IUPAC Namecopper(1+);2-ethynylthiophene
SMILES[C-]#Cc1cccs1.[Cu+]
InChIInChI=1S/C6H3S.Cu/c1-2-6-4-3-5-7-6;/h3-5H;/q-1;+1
InChIKeyJZFREUKPCMUCIJ-UHFFFAOYSA-N
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.70
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

chlorozinc(1+);2-ethynylthiophene
CID 14144481
ethane;thiophene-2-carbonitrile
CID 143604797
thiophene;thiophene-2-carbonitrile
CID 174388965
2-ethynylthiophene;thiophene
CID 175440846
2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene
CID 642329
2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene
CID 164687205
4-thiophen-2-ylbut-3-ynenitrile
CID 170474196
2-[2-(4-bromophenyl)ethynyl]thiophene
CID 691687
bicyclo[3.1.0]hexa-1(6),2,4-triene;2-prop-1-ynylthiophene
CID 175010018
2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 59270675
2-[2-(2-phenylphenyl)ethynyl]thiophene
CID 11357429
1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol
CID 130055841

Frequently Asked Questions

What is the IUPAC name of copper(1+);2-ethynylthiophene?
The IUPAC name of copper(1+);2-ethynylthiophene (CID 86222395) is copper(1+);2-ethynylthiophene.
What is the SMILES notation for copper(1+);2-ethynylthiophene?
The canonical SMILES for copper(1+);2-ethynylthiophene is [C-]#Cc1cccs1.[Cu+].
What is the InChIKey of copper(1+);2-ethynylthiophene?
The InChIKey is JZFREUKPCMUCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3S.Cu/c1-2-6-4-3-5-7-6;/h3-5H;/q-1;+1.
What are the key properties of copper(1+);2-ethynylthiophene?
copper(1+);2-ethynylthiophene has a molecular weight of 170.70 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2-ethynylthiophene is sourced from PubChem (CID 86222395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).